4-cyclohexa-1,5-dien-1-yl-7-[(3-methylphenyl)methyl]-3aH-indene

C23H22 — CID 58046153

IUPAC4-cyclohexa-1,5-dien-1-yl-7-[(3-methylphenyl)methyl]-3aH-indene
SMILESCc1cccc(CC2=CC=C(C3=CCCC=C3)C3C=CC=C23)c1
InChIInChI=1S/C23H22/c1-17-7-5-8-18(15-17)16-20-13-14-22(19-9-3-2-4-10-19)23-12-6-11-21(20)23/h3,5-15,23H,2,4,16H2,1H3
InChIKeyFKGTVRCVZNMDEN-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.79
Rot. Bonds3

About 4-cyclohexa-1,5-dien-1-yl-7-[(3-methylphenyl)methyl]-3aH-indene

4-cyclohexa-1,5-dien-1-yl-7-[(3-methylphenyl)methyl]-3aH-indene (PubChem CID 58046153) has the molecular formula C23H22 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-7-[(3-methylphenyl)methyl]-3aH-indene.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-7-[(3-methylphenyl)methyl]-3aH-indene
PubChem CID58046153
Molecular FormulaC23H22
Molecular Weight298.43 g/mol
Exact Mass298.17
IUPAC Name4-cyclohexa-1,5-dien-1-yl-7-[(3-methylphenyl)methyl]-3aH-indene
SMILESCc1cccc(CC2=CC=C(C3=CCCC=C3)C3C=CC=C23)c1
InChIInChI=1S/C23H22/c1-17-7-5-8-18(15-17)16-20-13-14-22(19-9-3-2-4-10-19)23-12-6-11-21(20)23/h3,5-15,23H,2,4,16H2,1H3
InChIKeyFKGTVRCVZNMDEN-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-cyclohexa-1,5-dien-1-yl-7-[[4-(4-propylcyclohexyl)phenyl]methyl]-3aH-indene
CID 58046186
7-[(4-cyclohexyl-3-methylphenyl)methyl]-4-(4-propylphenyl)-3aH-indene
CID 58046183
2-N-cyclohexa-1,5-dien-1-yl-1-N-[(3-methylphenyl)methyl]benzene-1,2-diamine
CID 71090919
1-methyl-3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]benzene
CID 142806847
1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene
CID 20706895
4-cyclohexa-1,5-dien-1-yl-2-(3-methylphenyl)pyridine
CID 144573791
1-bromo-4-[(3-methylphenyl)methyl]benzene
CID 67156138
cyclohexa-1,5-dien-1-ylmethylbenzene;ethane
CID 143782404
5-[(3-methylphenyl)methyl]-2,3-dihydro-1H-indene-2-carboxylic acid
CID 23341007
1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
tris[(3-methylphenyl)methyl]phosphane
CID 19845609
1-iodo-3-[(3-methylphenyl)methyl]benzene
CID 155312038

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yl-7-[(3-methylphenyl)methyl]-3aH-indene?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-7-[(3-methylphenyl)methyl]-3aH-indene (CID 58046153) is 4-cyclohexa-1,5-dien-1-yl-7-[(3-methylphenyl)methyl]-3aH-indene.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-7-[(3-methylphenyl)methyl]-3aH-indene?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-7-[(3-methylphenyl)methyl]-3aH-indene is Cc1cccc(CC2=CC=C(C3=CCCC=C3)C3C=CC=C23)c1.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-7-[(3-methylphenyl)methyl]-3aH-indene?
The InChIKey is FKGTVRCVZNMDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22/c1-17-7-5-8-18(15-17)16-20-13-14-22(19-9-3-2-4-10-19)23-12-6-11-21(20)23/h3,5-15,23H,2,4,16H2,1H3.
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-7-[(3-methylphenyl)methyl]-3aH-indene?
4-cyclohexa-1,5-dien-1-yl-7-[(3-methylphenyl)methyl]-3aH-indene has a molecular weight of 298.43 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yl-7-[(3-methylphenyl)methyl]-3aH-indene is sourced from PubChem (CID 58046153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).